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CHEBI:52947 - YoYo-1(4+)

ChEBI IDCHEBI:52947
ChEBI NameYoYo-1(4+)
Stars
DefinitionThe tetracation of YoYo-1 dye.
Last Modified6 August 2009
SubmitterSteve
DownloadsMolfile
FormulaC49H58N6O2
Net Charge+4
Average Mass763.043
Monoisotopic Mass762.45993
SMILES[H]C(=C1Oc2ccccc2N1C)c1cc[n+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]2ccc(C([H])=C3Oc4ccccc4N3C)c3ccccc32)c2ccccc12
InChIInChI=1S/C49H58N6O2/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3/q+4
InChIKeyHVBLAWIIVRQTOV-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
YoYo-1(4+) (CHEBI:52947) has role fluorochrome (CHEBI:51217)
YoYo-1(4+) (CHEBI:52947) is a benzoxazolium ion (CHEBI:52841)
YoYo-1(4+) (CHEBI:52947) is a cyanine dye (CHEBI:37960)
YoYo-1(4+) (CHEBI:52947) is a quaternary ammonium ion (CHEBI:35267)
YoYo-1(4+) (CHEBI:52947) is a quinolinium ion (CHEBI:52837)
Incoming Relation(s)
YoYo-1 (CHEBI:51224) has part YoYo-1(4+) (CHEBI:52947)
IUPAC Names 
1,1'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diyl]}bis{4-[(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]quinolinium}
2,2'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diylquinolin-1-yl-4-ylidenemethylylidene]}bis(3-methyl-1,3-benzoxazol-3-ium)
Synonyms  Source
YoYo-1 cationChEBI
YoYo-1 tetracationChEBI